Project name: EP078_agg

Chain sequence(s)	A: CDQHGVVYITENKNKTVC
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)

• Minimal score value: -3.3497
• Maximal score value: 2.7298
• Average score: -0.1878
• Total score value: -3.3811

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	C	A	0.8157
2	D	A	0.0000
3	Q	A	-0.9414
4	H	A	-1.0271
5	G	A	-0.1551
6	V	A	1.6988
7	V	A	2.3715
8	Y	A	2.7298
9	I	A	1.3741
10	T	A	-0.9552
11	E	A	-2.8550
12	N	A	-3.2446
13	K	A	-3.3497
14	N	A	-2.5632
15	K	A	-1.3202
16	T	A	0.0000
17	V	A	2.1038
18	C	A	1.9367